CID 74192

1623-93-4

Structural Information

Molecular Formula

C₁₂H₉ClO₂S

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C12H9ClO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

InChIKey

ALBQXDHCMLLQMB-UHFFFAOYSA-N

Compound name

4-phenylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1864
Patents: 252.00117 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.00845	150.3
[M+Na]+	274.99039	160.6
[M-H]-	250.99389	157.9
[M+NH4]+	270.03499	168.8
[M+K]+	290.96433	154.9
[M+H-H2O]+	234.99843	144.8
[M+HCOO]-	296.99937	165.0
[M+CH3COO]-	311.01502	187.6
[M+Na-2H]-	272.97584	155.8
[M]+	252.00062	154.4
[M]-	252.00172	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe